methyl 4-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H14BrClN2O4S MolecularWeight: 457.72606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H14BrClN2O4S/c1-24-16(23)10-2-5-12(6-3-10)20-17(26)21-15(22)9-25-14-7-4-11(18)8-13(14)19/h2-8H,9H2,1H3,(H2,20,21,22,26)